Hybrid Materials Interfaces

Research Group at @UniBremen /
Bremen Center for Computational Materials Science /
Center for Environmental Research and Sustainable Technology

[Hybrid Materials Interfaces @hmi_group]

Joint effort of decorating the 2024 HMI Christmas tree 🎄🎄🎄

[Lilly Neuroscience International @LillyNeuroInt]

After a successful five days, during which we discovered cutting-edge research in #AlzheimersDisease, the #AAIC24 comes to an end. Did you enjoy it as much as we did?

[Neudecker Group @NeudeckerGroup]

Our new paper details the implementation of a generalized JEDI strain analysis, which can be used to rationalize chemical processes in mechano- and high-pressure chemistry of molecular and periodic systems.

https://t.co/kBXdEGvCn6

[Eric Macke @Macke__E]

How can Hubbard U corrections improve upon DFT in covalent bonding regimes? We present a refined yet straightforward approach to DFT+U that overcomes existing limitations by taking into account the orbital dependency of the correction. Read here: https://t.co/UXbtqxyKyi

[Hybrid Materials Interfaces @hmi_group]

We are happy to share our joined publication with the Neudecker group about Computational #highpressure #chemistry

#DFT #review #atomisticsimulations

[Neudecker Group @NeudeckerGroup]

F. Zeller, C.-M. Hsieh, W. Dononelli, T. Neudecker, “Computational High-Pressure Chemistry: Ab Initio Simulations of Atoms, Molecules and Extended Materials in the Gigapascal Regime”, WIREs Comput. Mol. Sci. 2024, 14, e1708

https://t.co/SQkPUa3aPv

[Matt Sikora @BioPhysMatt]

Worried about your supercomputer electricity bill⚡️
We got your back!
Model your glycans in minutes with #GlycoSHIELD! Amazing collab w/ @cyril_hanus & Shang-Te Danny Hsu, now in @CellCellPress
https://t.co/0wlhUINvYx
@MCB_UJ @MPIbp @maxplanckpress @Inserm @AcadSinica #glycotime

[Neudecker Group @NeudeckerGroup]

In our new preprint we present a publicly available implementation of the JEDI analysis. Our code allows strain analyses of mechanically deformed molecular and solid-state systems.

https://t.co/Hg6Mq9rVpm

[Hybrid Materials Interfaces @hmi_group]

Find the preprint about #DFT #atomistic #simulations of high #pressure on #Atoms #Molecules and #PeriodicMaterials at #ChemRxiv

https://t.co/BrMyAQhRVV

Wilke of @hmi_group is proud to be part of it ;)

[Neudecker Group @NeudeckerGroup]

In our new preprint we provide an overview of simulation techniques for atoms, molecules and periodic materials under high pressure. Thanks to Felix, Chieh-Min and Dr. Wilke Dononelli from the BCCMS.

https://t.co/QwyS6kWFXr

[Hybrid Materials Interfaces @hmi_group]

Wilke @hmi_group had the opportunity to write one of six articles about #trends in #TheoreticalChemistry for the Bunsen Magazine #BunsenGesellschaft #PhysicalChemistry

find the full article (in German only) here: https://t.co/8wKfRDoLVr

#physikalischeChemie #theoretischeChemie

[Hybrid Materials Interfaces @hmi_group]

Find our latest publication @EurJOC about #chlorophyll derivates for application in #dye sensitized #solarcells
we combined #orcanicchemistry synthesis with #DFT #TDDFT modelling to calculate #uvvis spectra.

Find the article here:
https://t.co/d1B63UbqIL

[Hybrid Materials Interfaces @hmi_group]

Some time has passed since the first #Quanten Tage in Bremen , but still discussions are going on.
It was a pleasure to join!
#quantumtechnologies #MachineLearning #quantumchemistry #knowledgeexchange

[BIGSSS Graduate School @BIGSSS_Bremen]

Wer sagt, Ingenieur*innen und Sozialwissenschaftler*innen hätten sich nicht viel zu sagen? Gestern diskutierten Lucio Colombi Ciacchi @mapex_de @UniBremen und Christian Peters @cp_cassius und ein engagiertes Publikum über die Zukunft einer Marsmission. Hat Spaß gemacht!

[Hybrid Materials Interfaces @hmi_group]

@I_Krishnanjan and Manuel Vollbrecht impressing the audience at the plenary meeting of the Priority Programme 2315 in Freiberg, Saxony. Great progress understanding how to recover valuable elements from metallurgical slags.

[Maria von Einem @MariaVEinem]

First conference of this year: #CSC2023
My @hmi_group colleague @Macke__E and I are happy to be in Vancouver for this cool event!

[Eric Macke @Macke__E]

Impressions from #CSC2023 in beautiful Vancouver

@hmi_group @MariaVEinem

[Maria von Einem @MariaVEinem]

#CSC2023 was filled with nice new people, cool discussions and a lot of sun. Thanks for having us! :)
@Macke__E @hmi_group

[Hybrid Materials Interfaces @hmi_group]

Within the framework of the BREMEX exchange between @UniBremen and @ENESMoreliaUNAM scientists from both Universities organized a summer school about "Hybrid interfaces in experiment and simulation". More details here: https://t.co/zydHr7mAmY

[Hybrid Materials Interfaces @hmi_group]

At 08.06.2023 Annika Niemann successfully presented the results of her Bachelor thesis at the 15th Early Career Researcher Workshop of @mapex_de at the @UniBremen. Congratulations to Annika and many thanks to the organizers for this exciting experience.

[Hybrid Materials Interfaces @hmi_group]

It was a pleasure to listen to the talk of Luca Gerhards @QuantbioG
We are looking forward to see what you will be able to do with https://t.co/rZIq22V1uc in the future!

Discussions went on long after the talk was finished ;)

[Hybrid Materials Interfaces @hmi_group]

We have been part of a work on the Origin of hydroxyl pair formation on reduced anatase TiO2(101) - now published in Physical Chemistry Chemical Physics https://t.co/9hPsKQMytL
#anatase #tio2 #h2o #oh #infrared #stm #dft
@AarhusUni_int @PNNLab @UniBremen @mapex_de